Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation

Araz Jakalian, David B. Jack, Christopher I. Bayly. Fast, efficient generation of high-quality atomic charges. AM1-BCC model: II. Parameterization and validation. Journal of Computational Chemistry, 23(16):1623-1641, 2002. [doi]

Abstract

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